(Q104400590)

English

[(1S,3S,4S,5S,7R,8R)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate

chemical compound

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type of chemical entity

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subclass of

[7-Ethyl-4-hydroxy-3-[6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

460.209717984 dalton

1 reference

1 reference

C₂₅H₃₂O₈

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canonical SMILES

O=C1OC(C=CC=CC=CC2OC3(C)C(OC(C)(C2O)C3OC(=O)C)CC)=C(C(OC)=C1)C

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isomeric SMILES

CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@@H]2OC(C)=O

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found in taxon

Albatrellus confluens

1 reference

stated in

Two new cleistanthane diterpenes and a new isocoumarine from cultures of the basidiomycete Albatrellus confluens

Calcarisporium arbuscula

1 reference

stated in

Mechanistic studies on the biosynthesis of the aurovertins using 18O-labelled precursors

Albatrellopsis confluens

1 reference

stated in

Two new cleistanthane diterpenes and a new isocoumarine from cultures of the basidiomycete Albatrellus confluens

Identifiers

InChI

InChI=1S/C25H32O8/c1-7-20-24(4)23(30-16(3)26)25(5,33-20)22(28)18(32-24)13-11-9-8-10-12-17-15(2)19(29-6)14-21(27)31-17/h8-14,18,20,22-23,28H,7H2,1-6H3/b9-8+,12-10+,13-11+/t18-,20+,22-,23-,24-,25-/m0/s1

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InChIKey

QXCOFYWOWZJFEA-DWUHWWJMSA-N

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CAS Registry Number

55350-03-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QXCOFYWOWZJFEA-DWUHWWJMSA-N

1 reference

(Q104400590)

[(1S,3S,4S,5S,7R,8R)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate

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